porphyrin;zinc

C20H12N4Zn — CID 66593577

IUPACporphyrin;zinc
SMILESC1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3.[Zn]
InChIInChI=1S/C20H12N4.Zn/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;/h1-12H;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;
InChIKeyACTQXWMLJDUEEH-QDJBTJTOSA-N
MW373.73 g/mol
LogP3.58
Rot. Bonds

About porphyrin;zinc

porphyrin;zinc (PubChem CID 66593577) has the molecular formula C20H12N4Zn and a molecular weight of 373.73 g/mol. Its IUPAC name is porphyrin;zinc.

Molecular Properties

Compound Nameporphyrin;zinc
PubChem CID66593577
Molecular FormulaC20H12N4Zn
Molecular Weight373.73 g/mol
Exact Mass372.04
IUPAC Nameporphyrin;zinc
SMILESC1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3.[Zn]
InChIInChI=1S/C20H12N4.Zn/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;/h1-12H;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;
InChIKeyACTQXWMLJDUEEH-QDJBTJTOSA-N
XLogP3.58
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.73
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of porphyrin;zinc?
The IUPAC name of porphyrin;zinc (CID 66593577) is porphyrin;zinc.
What is the SMILES notation for porphyrin;zinc?
The canonical SMILES for porphyrin;zinc is C1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3.[Zn].
What is the InChIKey of porphyrin;zinc?
The InChIKey is ACTQXWMLJDUEEH-QDJBTJTOSA-N. The full InChI is InChI=1S/C20H12N4.Zn/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;/h1-12H;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;.
What are the key properties of porphyrin;zinc?
porphyrin;zinc has a molecular weight of 373.73 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for porphyrin;zinc is sourced from PubChem (CID 66593577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).